Molecular Properties | |
SMILES: | O=C(CCl)N1CCCN(S(=O)(=O)c2cc(F)ccc2F)CC1 |
MW: | 352.05 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 57.69 |
cLogP: | 1.43 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 12.126216700727 |
Order Status | |
Shipped: | 2021-05-26 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-1
BEN-DND-76ad4ac9-10
1.000
KAT-UNK-b2a0d5b1-1
0.828
BEN-DND-76ad4ac9-11
0.627
BEN-DND-03406596-9
0.627
BEN-DND-76ad4ac9-14
0.603
BEN-DND-03406596-3
0.603
BEN-DND-03406596-8
0.597
BEN-DND-03406596-2
0.565
BEN-DND-76ad4ac9-12
0.565
BEN-DND-76ad4ac9-13
0.500
BEN-DND-03406596-5
0.500
AAR-POS-d2a4d1df-34
0.493
DRR-IMP-dff87f5e-5
0.493
MAR-TRE-6a44bbf2-8
0.493
ABB-MCD-f8003a30-1
0.486
MAR-TRE-6a44bbf2-32
0.486
BEN-DND-03406596-10
0.478
LON-WEI-8f408cad-4
0.478
MAR-TRE-6a44bbf2-18
0.478
AAR-POS-d2a4d1df-23
0.478
DRR-IMP-dff87f5e-1
0.471
KAY-MCD-d0fe5261-1
0.471
MAR-TRE-6a44bbf2-58
0.471
MAK-UNK-7c9d1431-10
0.465
BEN-DND-03406596-1
0.459
BEN-DND-76ad4ac9-9
0.459
DRR-IMP-dff87f5e-8
0.444
LON-WEI-8f408cad-2
0.443
AAR-POS-d2a4d1df-32
0.443
MAR-TRE-6a44bbf2-4
0.443
AAR-POS-d2a4d1df-36
0.438
DRR-IMP-dff87f5e-3
0.435
AAR-POS-d2a4d1df-44
0.435
IND-SYN-6c8299e8-2
0.434
MAT-POS-ee51dedd-2
0.429
MAK-UNK-7c9d1431-12
0.423
MAR-TRE-6a44bbf2-21
0.420
MAK-UNK-7c9d1431-9
0.420
AAR-POS-0daf6b7e-3
0.419
WAR-XCH-79d12f6e-6
0.419
RHE-UNK-eb059eb9-1
0.419
MAR-TRE-6a44bbf2-13
0.419
SAD-SAT-bc31ec01-5
0.414
MAR-TRE-6a44bbf2-45
0.410
MAK-UNK-7c9d1431-30
0.410
MAK-UNK-7c9d1431-11
0.408
TAT-ENA-80bfd3e5-43
0.408
MAR-TRE-6a44bbf2-65
0.408
SAD-SAT-bc31ec01-4
0.405
SAD-SAT-3a925b8b-6
0.403
SAD-SAT-3a925b8b-3
0.403
JAY-UNK-11f5bdbd-1
0.403
DRR-IMP-dff87f5e-4
0.400
PEI-IMP-ca0b2813-3
0.397
SAD-SAT-bc31ec01-10
0.395
SAD-SAT-9a6c5cf3-10
0.393
MAK-UNK-7c9d1431-17
0.392
MAR-TRE-6a44bbf2-26
0.392
MAK-UNK-7c9d1431-8
0.392
DRR-IMP-dff87f5e-6
0.392
AAR-POS-d2a4d1df-37
0.390
MAR-TRE-6a44bbf2-7
0.390
AAR-POS-d2a4d1df-22
0.389
LON-WEI-8f408cad-3
0.389
PEI-IMP-ca0b2813-2
0.389
MAR-TRE-6a44bbf2-52
0.389
MAR-LAB-efb042c5-5
0.389
AAR-POS-d2a4d1df-27
0.389
AAR-POS-0daf6b7e-15
0.389
DRR-IMP-db50bf6e-5
0.389
MAR-TRE-6a44bbf2-68
0.389
DRR-IMP-dff87f5e-7
0.389
SAD-SAT-3a925b8b-2
0.389
DRR-IMP-db50bf6e-4
0.385
MAK-UNK-7c9d1431-13
0.384
NIM-UNI-05f93fcc-1
0.384
MAR-TRE-6a44bbf2-78
0.384
TAT-ENA-80bfd3e5-25
0.380
MAK-UNK-7c9d1431-4
0.380
SAD-SAT-9a6c5cf3-2
0.379
KAT-MCD-525c981a-1
0.378
DAN-MCD-50ec7d1f-1
0.378
KAT-UNK-48001bce-1
0.378
KAI-MCD-cb49037b-1
0.378
MAK-UNK-7c9d1431-2
0.378
MAR-TRE-6a44bbf2-36
0.378
PEI-IMP-668afc53-1
0.376
MAK-UNK-7c9d1431-7
0.375
MAR-TRE-6a44bbf2-31
0.375
MAR-TRE-6a44bbf2-49
0.375
MAK-UNK-c74072e5-9
0.375
MAK-UNK-7c9d1431-5
0.375
PEI-IMP-ca0b2813-1
0.373
MAK-UNK-7c9d1431-6
0.373
BEN-DND-76ad4ac9-8
0.373
DRR-IMP-dff87f5e-9
0.373
MAK-UNK-c74072e5-8
0.373
MAK-UNK-7c9d1431-27
0.373
MAK-UNK-7c9d1431-19
0.372
SAD-SAT-f2e2579e-8
0.371